4-[(5,8-dimethyl-3,4-dihydro-2H-thiochromen-6-yl)carbonyl]-2-ethyl-1H-pyrazol-3-one

Systemtic Name: 4-[(5,8-dimethyl-3,4-dihydro-2H-thiochromen-6-yl)carbonyl]-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-(5,8-dimethylthiochromane-6-carbonyl)-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[(5,8-dimethyl-3,4-dihydro-2H-1-benzothiopyran-6-yl)-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-(5,8-dimethyl-3,4-dihydro-2H-thiochromene-6-carbonyl)-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-(5,8-dimethylthiochroman-6-carbonyl)-2-ethyl-3-pyrazolin-3-one Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2=CC(=C3C(=C2C)CCCS3)C

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=CC(=C3C(=C2C)CCCS3)C

InChI

InChI=1S/C17H20N2O2S/c1-4-19-17(21)14(9-18-19)15(20)13-8-10(2)16-12(11(13)3)6-5-7-22-16/h8-9,18H,4-7H2,1-3H3